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| IUPAC Name: | 1-isocyanato-2-nitrobenzene |
| Description: | 2-Nitrophenyl isocyanate (CAS# 3320-86-3) is a reagent used in the synthesis of histone deacetylase class III inhibitors which exhibit antiproliferative activity against cancer cell lines. |
| Molecular Weight: | 164.12 |
| Molecular Formula: | C7H4N2O3 |
| Canonical SMILES: | C1=CC=C(C(=C1)N=C=O)[N+](=O)[O-] |
| InChI: | InChI=1S/C7H4N2O3/c10-5-8-6-3-1-2-4-7(6)9(11)12/h1-4H |
| InChI Key: | JRVZITODZAQRQM-UHFFFAOYSA-N |
| Boiling Point: | 135-137 °C / 17 mmHg (lit.) |
| Purity: | Practical |
| Density: | 1.32 g/cm3 |
| Appearance: | Yellow solid |
| MDL: | MFCD00007092 |
| LogP: | 2.08530 |
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